PUBCHEM-ZINC06375282 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 0.0580 1.6050 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 0.1540 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.4110 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.4270 2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 0.6090 2.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -1.6840 2.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -1.9850 2.8530 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7120 -1.1580 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -2.2650 4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -1.0340 5.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -0.1660 5.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 0.9560 6.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 1.2230 6.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 0.3700 6.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -0.7540 5.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -3.3130 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -4.1110 1.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.7040 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -1.9270 -0.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.0450 -2.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -0.8940 -3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.0180 -4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 0.2530 -5.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 1.0830 -6.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.6540 -6.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 1.4000 -6.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 0.5700 -5.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 2.0500 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 1.9440 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.9470 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -1.4250 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 0.1940 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -2.5090 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -2.7740 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -2.9670 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -0.3640 5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 1.6200 6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 2.0950 7.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 0.5800 6.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -1.4110 5.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.5660 -3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -1.5030 -3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -0.1780 -4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 1.2860 -6.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 2.3020 -7.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 1.8510 -6.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 0.3870 -4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -3.4350 2.4420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 48 -1 M END